Colored-noise thermostats à la carte

Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecular dynamics as a tool to obtain dynamical trajectories whose properties are tailored to display desired sampling features. In the present paper, after having reviewed some analytical results for the st...

Полное описание

Библиографические подробности
Главные авторы: Ceriotti, M, Bussi, G, Parrinello, M
Формат: Journal article
Язык:English
Опубликовано: 2012